1-Methylpiperidin-1-ium-4-carboxylic acid;chloride

Base Information

• Chemical Name: 1-Methylpiperidin-1-ium-4-carboxylic acid;chloride
• CAS No.: 71985-80-3
• Molecular Formula: C7H13NO2.ClH
• Molecular Weight: 179.647
• Hs Code.: 29339900
• Mol file: 71985-80-3.mol

Synonyms:

Chemical Property of 1-Methylpiperidin-1-ium-4-carboxylic acid;chloride

Chemical Property:

• Vapor Pressure: 0.00899mmHg at 25°C
• Melting Point: 226-228°C (dec.)
• Boiling Point: 246.1 °C at 760 mmHg
• Flash Point: 102.6 °C
• PSA: 40.54000
• LogP: 1.15270
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99.9% ^*data from raw suppliers

1-Methylpiperidine-4-carboxylic acid hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+]1CCC(CC1)C(=O)O.[Cl-]

Technology Process of 1-Methylpiperidin-1-ium-4-carboxylic acid;chloride

There total 4 articles about 1-Methylpiperidin-1-ium-4-carboxylic acid;chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

isonipecotic acid (498-94-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 1-methylpiperidine-4-carboxylic acid hydrochloride (71985-80-3,71235-92-2)

Guidance literature:

With formic acid; for 16h; Heating;

DOI:10.1021/jm00399a022

Reference yield: 48.0%

ethyl 1-methylisonipecotate (24252-37-7) → 1-methylpiperidine-4-carboxylic acid hydrochloride (71985-80-3,71235-92-2)

Guidance literature:

With hydrogenchloride; water; at 100 ℃; for 6h;

Reference yield:

ethyl 1-methylisonipecotate (24252-37-7) → 1-methylpiperidine-4-carboxylic acid hydrochloride (71985-80-3,71235-92-2) + 1-methyl-3-piperidinecarboxylic acid hydrochloride (19999-64-5)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

isonipecotic acid

formaldehyd

ethyl 1-methylisonipecotate

Downstream raw materials:

1-methyl-piperidine-4-carboxylic acid methyl ester

1-methyl-piperidine-4-carboxylic acid (2-bromo-phenyl)-amide

1-methyl-N-[4-(4-morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]piperidine-4-carboxamide

4-((bis(3-fluorophenyl)methoxy)carbonyl)-1-methyl-1-(2-oxo-2-(thiophen-2-yl)ethyl)piperidinium chloride

Refernces

• 1、 -. "COMPOSITIONS AND METHODS OF SYNTHESIS OF PYRIDINOYLPIPERIDINE 5-HT1F AGONISTS". Page/Page column 29-30. . Retrieved 2011/10/13.
• 2、 -. "NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS". Page/Page column 61. . Retrieved 2010/08/08.